9,10,12,13-Tetrahydroxyoctadecanoic acid
PubChem CID: 92800
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| Compound Synonyms | 9,10,12,13-Tetrahydroxyoctadecanoic acid, Sativic acid, 541-82-2, 9,10,12,13-tetrahydroxy-octadecanoic acid, Octadecanoic acid, 9,10,12,13-tetrahydroxy-, Santivinic acid, Sativinic acid, .alpha.-Sativic acid, SCHEMBL7209818, DTXSID40968973, CHEBI:138499, LMFA02000148, NSC147793, 9,10,12,13-tetrahydroxystearic acid, NSC-147793 |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | VJOGZGLNDROOFS-UHFFFAOYSA-N |
| Rotatable Bond Count | 16.0 |
| Synonyms | Sativate |
| Heavy Atom Count | 24.0 |
| Compound Name | 9,10,12,13-Tetrahydroxyoctadecanoic acid |
| Kingdom | Organic compounds |
| Description | Sativic acid, also known as sativate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, sativic acid is considered to be an octadecanoid lipid molecule. Sativic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Sativic acid can be found in rice, which makes sativic acid a potential biomarker for the consumption of this food product. |
| Exact Mass | 348.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.251 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 348.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,10,12,13-tetrahydroxyoctadecanoic acid |
| Total Atom Stereocenter Count | 4.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Fatty Acyls |
| Inchi | InChI=1S/C18H36O6/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17,19-22H,2-13H2,1H3,(H,23,24) |
| Smiles | CCCCCC(C(CC(C(CCCCCCCC(=O)O)O)O)O)O |
| Xlogp | 2.6 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Fatty acids and conjugates |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Molecular Formula | C18H36O6 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all